Compile Data Set for Download or QSAR

Found 2105 hits with Last Name = 'poulsen' and Initial = 'sa'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508839 (CHEMBL4579554) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)C(\Cc2ccc(O)c(Br)c2)=N\O)cc1 Show InChI InChI=1S/C17H18BrN3O5S/c18-14-9-12(3-6-16(14)22)10-15(21-24)17(23)20-8-7-11-1-4-13(5-2-11)27(19,25)26/h1-6,9,22,24H,7-8,10H2,(H,20,23)(H2,19,25,26)/b21-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508875 (CHEMBL4449193) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)C(\Cc2ccc(O)cc2)=N\O)cc1 Show InChI InChI=1S/C17H19N3O5S/c18-26(24,25)15-7-3-12(4-8-15)9-10-19-17(22)16(20-23)11-13-1-5-14(21)6-2-13/h1-8,21,23H,9-11H2,(H,19,22)(H2,18,24,25)/b20-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508846 (CHEMBL4434814) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\OC2CCCCO2)s1 Show InChI InChI=1S/C16H19N5O5S2/c17-28(23,24)16-20-19-15(27-16)18-14(22)12(10-11-6-2-1-3-7-11)21-26-13-8-4-5-9-25-13/h1-3,6-7,13H,4-5,8-10H2,(H2,17,23,24)(H,18,19,22)/b21-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10860 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...) Show SMILES NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10860 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...) Show SMILES NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 by stopped flow CO2 hydration assay				J Med Chem 53: 2913-26 (2010) Article DOI: 10.1021/jm901888x BindingDB Entry DOI: 10.7270/Q2DN460W
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508855 (CHEMBL4443809) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccc(O)c(Br)c2)=N\O)cc1 Show InChI InChI=1S/C15H14BrN3O5S/c16-12-7-9(1-6-14(12)20)8-13(19-22)15(21)18-10-2-4-11(5-3-10)25(17,23)24/h1-7,20,22H,8H2,(H,18,21)(H2,17,23,24)/b19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508880 (CHEMBL4538681) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccc(O)cc2)=N\O)cc1 Show InChI InChI=1S/C15H15N3O5S/c16-24(22,23)13-7-3-11(4-8-13)17-15(20)14(18-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,17,20)(H2,16,22,23)/b18-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50508840 (CHEMBL4461878) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\O)s1 Show InChI InChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508862 (CHEMBL4468565) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccc(O)cc2)=N\OCc2ccccc2)s1 Show InChI InChI=1S/C18H17N5O5S2/c19-30(26,27)18-22-21-17(29-18)20-16(25)15(10-12-6-8-14(24)9-7-12)23-28-11-13-4-2-1-3-5-13/h1-9,24H,10-11H2,(H2,19,26,27)(H,20,21,25)/b23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053947 (2-(4-Methylamino-1-phenyl-1H-pyrazolo[3,4-d]pyrimi...) Show SMILES CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C18H22N6OS/c1-3-4-10-14(15(19)25)26-18-22-16(20-2)13-11-21-24(17(13)23-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,25)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of A1 agonist (R)-[3H]-N 6-(phenylisopropyl) adenosine binding to membranes from rat whole brain				Bioorg Med Chem Lett 6: 357-360 (1996) Article DOI: 10.1016/0960-894X(96)00027-3 BindingDB Entry DOI: 10.7270/Q2HQ3ZWW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053947 (2-(4-Methylamino-1-phenyl-1H-pyrazolo[3,4-d]pyrimi...) Show SMILES CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C18H22N6OS/c1-3-4-10-14(15(19)25)26-18-22-16(20-2)13-11-21-24(17(13)23-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,25)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.745	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA binding from A1 receptor in whole rat brain membranes				Bioorg Med Chem Lett 11: 191-3 (2001) BindingDB Entry DOI: 10.7270/Q23F4NW2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053947 (2-(4-Methylamino-1-phenyl-1H-pyrazolo[3,4-d]pyrimi...) Show SMILES CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C18H22N6OS/c1-3-4-10-14(15(19)25)26-18-22-16(20-2)13-11-21-24(17(13)23-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,25)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.745	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508864 (CHEMBL4537085) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccc(O)cc2)=N\OC2CCCCO2)s1 Show InChI InChI=1S/C16H19N5O6S2/c17-29(24,25)16-20-19-15(28-16)18-14(23)12(9-10-4-6-11(22)7-5-10)21-27-13-3-1-2-8-26-13/h4-7,13,22H,1-3,8-9H2,(H2,17,24,25)(H,18,19,23)/b21-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50092612 (CHEMBL3586274) Show SMILES NS(=O)(=O)CCNC(=O)C(\Cc1ccc(O)c(Br)c1)=N\O Show InChI InChI=1S/C11H14BrN3O5S/c12-8-5-7(1-2-10(8)16)6-9(15-18)11(17)14-3-4-21(13,19)20/h1-2,5,16,18H,3-4,6H2,(H,14,17)(H2,13,19,20)/b15-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50092612 (CHEMBL3586274) Show SMILES NS(=O)(=O)CCNC(=O)C(\Cc1ccc(O)c(Br)c1)=N\O Show InChI InChI=1S/C11H14BrN3O5S/c12-8-5-7(1-2-10(8)16)6-9(15-18)11(17)14-3-4-21(13,19)20/h1-2,5,16,18H,3-4,6H2,(H,14,17)(H2,13,19,20)/b15-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 59: 5462-70 (2016) Article DOI: 10.1021/acs.jmedchem.6b00443 BindingDB Entry DOI: 10.7270/Q2TF0084
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50508846 (CHEMBL4434814) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\OC2CCCCO2)s1 Show InChI InChI=1S/C16H19N5O5S2/c17-28(23,24)16-20-19-15(27-16)18-14(22)12(10-11-6-2-1-3-7-11)21-26-13-8-4-5-9-25-13/h1-3,6-7,13H,4-5,8-10H2,(H2,17,23,24)(H,18,19,22)/b21-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053941 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C17H20N6OS/c1-2-3-9-13(15(19)24)25-17-21-14(18)12-10-20-23(16(12)22-17)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H2,19,24)(H2,18,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.939	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50028308 (CHEMBL3342254) Show SMILES NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H20N2O10S2/c10-23(18,19)20-3-1-2-11-22(16,17)9-8(15)7(14)6(13)5(4-12)21-9/h5-9,11-15H,1-4H2,(H2,10,18,19)/t5-,6-,7+,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50028265 (CHEMBL3342252) Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OS(N)(=O)=O |r| Show InChI InChI=1S/C20H30N2O16S2/c1-9(23)33-8-15-16(34-10(2)24)17(35-11(3)25)18(36-12(4)26)20(37-15)39(28,29)22-7-13(38-40(21,30)31)6-14(22)19(27)32-5/h13-18,20H,6-8H2,1-5H3,(H2,21,30,31)/t13-,14+,15-,16-,17+,18-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12941 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O Show InChI InChI=1S/C22H30N4O14S/c23-41(35,36)11-3-1-9(2-4-11)21(34)37-8-10-5-26(25-24-10)20-17(32)16(31)19(13(7-28)38-20)40-22-18(33)15(30)14(29)12(6-27)39-22/h1-5,12-20,22,27-33H,6-8H2,(H2,23,35,36)/t12-,13-,14-,15+,16-,17-,18-,19-,20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12916 (CHEMBL386542 | N-(Prop-2-ynyl)-4-sulfamoylbenzamid...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC#C Show InChI InChI=1S/C10H10N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h1,3-6H,7H2,(H,12,13)(H2,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50028265 (CHEMBL3342252) Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OS(N)(=O)=O |r| Show InChI InChI=1S/C20H30N2O16S2/c1-9(23)33-8-15-16(34-10(2)24)17(35-11(3)25)18(36-12(4)26)20(37-15)39(28,29)22-7-13(38-40(21,30)31)6-14(22)19(27)32-5/h13-18,20H,6-8H2,1-5H3,(H2,21,30,31)/t13-,14+,15-,16-,17+,18-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 expressed in Escherichia coli by stopped flow CO2 hydration assay				J Med Chem 58: 6630-8 (2015) Article DOI: 10.1021/acs.jmedchem.5b00845 BindingDB Entry DOI: 10.7270/Q24F1SHZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053943 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C16H18N6OS/c1-2-6-12(14(18)23)24-16-20-13(17)11-9-19-22(15(11)21-16)10-7-4-3-5-8-10/h3-5,7-9,12H,2,6H2,1H3,(H2,18,23)(H2,17,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508840 (CHEMBL4461878) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\O)s1 Show InChI InChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50200451 (4-sulfamoyl-benzoic acid 1-((2S,3S,4R,5R)-3,4,5-tr...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C15H18N4O8S/c16-28(24,25)10-3-1-8(2-4-10)15(23)27-6-9-5-19(18-17-9)14-13(22)12(21)11(20)7-26-14/h1-5,11-14,20-22H,6-7H2,(H2,16,24,25)/t11-,12-,13+,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50508840 (CHEMBL4461878) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\O)s1 Show InChI InChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli GOLD BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053944 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C15H16N6OS/c1-2-11(13(17)22)23-15-19-12(16)10-8-18-21(14(10)20-15)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3,(H2,17,22)(H2,16,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50372664 (CHEMBL273046) Show SMILES CC(=O)OC[C@H]1O[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H26N4O11S/c1-11(27)33-10-18-19(34-12(2)28)20(35-13(3)29)21(36-14(4)30)22(37-18)26-9-17(24-25-26)15-5-7-16(8-6-15)38(23,31)32/h5-9,18-22H,10H2,1-4H3,(H2,23,31,32)/t18-,19-,20+,21+,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned CA1 by CO2 hydration method				J Med Chem 51: 1945-53 (2008) Article DOI: 10.1021/jm701426t BindingDB Entry DOI: 10.7270/Q28P61CM
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50092612 (CHEMBL3586274) Show SMILES NS(=O)(=O)CCNC(=O)C(\Cc1ccc(O)c(Br)c1)=N\O Show InChI InChI=1S/C11H14BrN3O5S/c12-8-5-7(1-2-10(8)16)6-9(15-18)11(17)14-3-4-21(13,19)20/h1-2,5,16,18H,3-4,6H2,(H,14,17)(H2,13,19,20)/b15-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 59: 5462-70 (2016) Article DOI: 10.1021/acs.jmedchem.6b00443 BindingDB Entry DOI: 10.7270/Q2TF0084
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50118192 (CHEMBL3613286) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H19N4O10PS/c15-30(25,26)8-3-1-7(2-4-8)9-5-18(17-16-9)14-13(21)12(20)11(19)10(28-14)6-27-29(22,23)24/h1-5,10-14,19-21H,6H2,(H2,15,25,26)(H2,22,23,24)/t10-,11-,12+,13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay				J Med Chem 58: 7580-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028265 (CHEMBL3342252) Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OS(N)(=O)=O |r| Show InChI InChI=1S/C20H30N2O16S2/c1-9(23)33-8-15-16(34-10(2)24)17(35-11(3)25)18(36-12(4)26)20(37-15)39(28,29)22-7-13(38-40(21,30)31)6-14(22)19(27)32-5/h13-18,20H,6-8H2,1-5H3,(H2,21,30,31)/t13-,14+,15-,16-,17+,18-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 expressed in Escherichia coli by stopped flow CO2 hydration assay				J Med Chem 58: 6630-8 (2015) Article DOI: 10.1021/acs.jmedchem.5b00845 BindingDB Entry DOI: 10.7270/Q24F1SHZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028265 (CHEMBL3342252) Show SMILES COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OS(N)(=O)=O |r| Show InChI InChI=1S/C20H30N2O16S2/c1-9(23)33-8-15-16(34-10(2)24)17(35-11(3)25)18(36-12(4)26)20(37-15)39(28,29)22-7-13(38-40(21,30)31)6-14(22)19(27)32-5/h13-18,20H,6-8H2,1-5H3,(H2,21,30,31)/t13-,14+,15-,16-,17+,18-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028271 (CHEMBL3342257) Show SMILES NS(=O)(=O)O[C@@H]1CCN(C1)S(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H20N2O10S2/c11-24(19,20)22-5-1-2-12(3-5)23(17,18)10-9(16)8(15)7(14)6(4-13)21-10/h5-10,13-16H,1-4H2,(H2,11,19,20)/t5-,6-,7-,8+,9-,10+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028279 (CHEMBL3342255) Show SMILES NS(=O)(=O)OCCCCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H26N2O10S2/c13-26(21,22)23-6-4-2-1-3-5-14-25(19,20)12-11(18)10(17)9(16)8(7-15)24-12/h8-12,14-18H,1-7H2,(H2,13,21,22)/t8-,9-,10+,11-,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028308 (CHEMBL3342254) Show SMILES NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H20N2O10S2/c10-23(18,19)20-3-1-2-11-22(16,17)9-8(15)7(14)6(13)5(4-12)21-9/h5-9,11-15H,1-4H2,(H2,10,18,19)/t5-,6-,7+,8-,9+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028266 (CHEMBL3342251) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CC[C@H](C1)OS(N)(=O)=O |r| Show InChI InChI=1S/C18H28N2O14S2/c1-9(21)29-8-14-15(30-10(2)22)16(31-11(3)23)17(32-12(4)24)18(33-14)35(25,26)20-6-5-13(7-20)34-36(19,27)28/h13-18H,5-8H2,1-4H3,(H2,19,27,28)/t13-,14-,15-,16+,17-,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028267 (CHEMBL3342250) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CCC(CC1)OS(N)(=O)=O |r| Show InChI InChI=1S/C19H30N2O14S2/c1-10(22)30-9-15-16(31-11(2)23)17(32-12(3)24)18(33-13(4)25)19(34-15)36(26,27)21-7-5-14(6-8-21)35-37(20,28)29/h14-19H,5-9H2,1-4H3,(H2,20,28,29)/t15-,16-,17+,18-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028268 (CHEMBL3342249) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCCCCOS(N)(=O)=O |r| Show InChI InChI=1S/C20H34N2O14S2/c1-12(23)31-11-16-17(33-13(2)24)18(34-14(3)25)19(35-15(4)26)20(36-16)37(27,28)22-9-7-5-6-8-10-32-38(21,29)30/h16-20,22H,5-11H2,1-4H3,(H2,21,29,30)/t16-,17-,18+,19-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50108106 (CHEMBL3601602) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCCCCOS(N)(=O)=O |r| Show InChI InChI=1S/C19H32N2O14S2/c1-11(22)30-10-15-16(32-12(2)23)17(33-13(3)24)18(34-14(4)25)19(35-15)36(26,27)21-8-6-5-7-9-31-37(20,28)29/h15-19,21H,5-10H2,1-4H3,(H2,20,28,29)/t15-,16-,17+,18-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 expressed in Escherichia coli by stopped flow CO2 hydration assay				J Med Chem 58: 6630-8 (2015) Article DOI: 10.1021/acs.jmedchem.5b00845 BindingDB Entry DOI: 10.7270/Q24F1SHZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028267 (CHEMBL3342250) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)N1CCC(CC1)OS(N)(=O)=O |r| Show InChI InChI=1S/C19H30N2O14S2/c1-10(22)30-9-15-16(31-11(2)23)17(32-12(3)24)18(33-13(4)25)19(34-15)36(26,27)21-7-5-14(6-8-21)35-37(20,28)29/h14-19H,5-9H2,1-4H3,(H2,20,28,29)/t15-,16-,17+,18-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 expressed in Escherichia coli by stopped flow CO2 hydration assay				J Med Chem 58: 6630-8 (2015) Article DOI: 10.1021/acs.jmedchem.5b00845 BindingDB Entry DOI: 10.7270/Q24F1SHZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 526-31 (2015) Article DOI: 10.1016/j.bmc.2014.12.009 BindingDB Entry DOI: 10.7270/Q20K2B62
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50366063 (CHEMBL1956769) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H33N3O12S2/c22-38(32,33)10-3-1-9(2-4-10)5-6-23-21(37)24-19-16(30)15(29)18(12(8-26)34-19)36-20-17(31)14(28)13(27)11(7-25)35-20/h1-4,11-20,25-31H,5-8H2,(H2,22,32,33)(H2,23,24,37)/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50372664 (CHEMBL273046) Show SMILES CC(=O)OC[C@H]1O[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H26N4O11S/c1-11(27)33-10-18-19(34-12(2)28)20(35-13(3)29)21(36-14(4)30)22(37-18)26-9-17(24-25-26)15-5-7-16(8-6-15)38(23,31)32/h5-9,18-22H,10H2,1-4H3,(H2,23,31,32)/t18-,19-,20+,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned CA2 by CO2 hydration method				J Med Chem 51: 1945-53 (2008) Article DOI: 10.1021/jm701426t BindingDB Entry DOI: 10.7270/Q28P61CM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508874 (CHEMBL4470371) Show SMILES NS(=O)(=O)CCNC(=O)C(\Cc1ccccc1)=N\OCc1ccccc1 Show InChI InChI=1S/C18H21N3O4S/c19-26(23,24)12-11-20-18(22)17(13-15-7-3-1-4-8-15)21-25-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,22)(H2,19,23,24)/b21-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50508840 (CHEMBL4461878) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\O)s1 Show InChI InChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50508850 (CHEMBL4483677) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)C(\Cc2ccc(O)cc2)=N\OCc2ccccc2)cc1 Show InChI InChI=1S/C23H23N3O5S/c24-32(29,30)21-12-8-18(9-13-21)15-25-23(28)22(14-17-6-10-20(27)11-7-17)26-31-16-19-4-2-1-3-5-19/h1-13,27H,14-16H2,(H,25,28)(H2,24,29,30)/b26-22+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50372658 (CHEMBL409306) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C13H16N4O6S/c14-24(21,22)8-3-1-7(2-4-8)9-5-17(16-15-9)13-12(20)11(19)10(18)6-23-13/h1-5,10-13,18-20H,6H2,(H2,14,21,22)/t10-,11-,12+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned CA2 by CO2 hydration method				J Med Chem 51: 1945-53 (2008) Article DOI: 10.1021/jm701426t BindingDB Entry DOI: 10.7270/Q28P61CM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50508862 (CHEMBL4468565) Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccc(O)cc2)=N\OCc2ccccc2)s1 Show InChI InChI=1S/C18H17N5O5S2/c19-30(26,27)18-22-21-17(29-18)20-16(25)15(10-12-6-8-14(24)9-7-12)23-28-11-13-4-2-1-3-5-13/h1-9,24H,10-11H2,(H2,19,26,27)(H,20,21,25)/b23-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli GOLD BL21 (DE3) by stopped-flow CO2 hydration assay				J Med Chem 62: 4174-4192 (2019) Article DOI: 10.1021/acs.jmedchem.9b00282 BindingDB Entry DOI: 10.7270/Q20868M1
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-7 (unknown origin)				J Med Chem 58: 7580-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50372658 (CHEMBL409306) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C13H16N4O6S/c14-24(21,22)8-3-1-7(2-4-8)9-5-17(16-15-9)13-12(20)11(19)10(18)6-23-13/h1-5,10-13,18-20H,6H2,(H2,14,21,22)/t10-,11-,12+,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned CA1 by CO2 hydration method				J Med Chem 51: 1945-53 (2008) Article DOI: 10.1021/jm701426t BindingDB Entry DOI: 10.7270/Q28P61CM
					More data for this Ligand-Target Pair

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